Geometry & MOs

Info

ID:	130330
PubChem CID:	51075620
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	314.124212
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	1.32
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1=NOC(=C1)C)N(C)CC2=CN(N=C2)C

DOS

IR

Vibrations